- Efficient and chromatography-free methodology for the modular synthesis of oligo-(1H-pyrazol-4-yl)-arenes with controllable size, shape and steric bulkKershaw Cook, Laurence J.; Kearsey, Rachel; Lamb, Jessica V.; Pace, Edward J.; Gould, Jamie A., Tetrahedron Letters, 2016, 57(8), 895-898
Cas no 95162-14-4 (4-Bromo-1-trityl-1H-pyrazole)
4-Bromo-1-trityl-1H-pyrazole structure
Product Name:4-Bromo-1-trityl-1H-pyrazole
CAS No:95162-14-4
MF:C22H17BrN2
MW:389.287784337997
MDL:MFCD09907863
CID:799235
PubChem ID:10834188
Update Time:2024-10-25
4-Bromo-1-trityl-1H-pyrazole Chemical and Physical Properties
Names and Identifiers
-
- 4-Bromo-1-trityl-1H-pyrazole
- 4-Bromo-1-tritylpyrazole
- 1H-Pyrazole,4-bromo-1-(triphenylmethyl)-
- 4-Bromo-1-trityl-1H-pyraziole
- 4-bromo-1-(triphenylmethyl)-1H-pyrazole
- 1H-Pyrazole, 4-bromo-1-(triphenylmethyl)-
- N-trityl-4-bromopyrazole
- 4-bromo-1-N-tritylpyrazole
- 1-Trityl-4-bromo-1H-pyrazole
- 4-bromo-1-trityl-1-H-pyrazole
- CPENTLJGGGSVAJ-UHFFFAOYSA-N
- RB3227
- 6345AC
- TRA0007730
- AM62736
- SC-
- 4-Bromo-1-(triphenylmethyl)-1H-pyrazole (ACI)
- Pyrazole, 4-bromo-1-trityl- (7CI)
- 4-Bromo-1-triphenylmethyl-1H-pyrazole
- 95162-14-4
- SCHEMBL511015
- CHEMBL4919985
- 4-BROMO-1-(TRIPHENYLMETHYL)PYRAZOLE
- AKOS016002521
- VDA16214
- SY023837
- AS-9018
- DTXSID90445567
- MFCD09907863
-
- MDL: MFCD09907863
- Inchi: 1S/C22H17BrN2/c23-21-16-24-25(17-21)22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-17H
- InChI Key: CPENTLJGGGSVAJ-UHFFFAOYSA-N
- SMILES: BrC1=CN(C(C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)N=C1
Computed Properties
- Exact Mass: 388.05800
- Monoisotopic Mass: 388.05751g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 25
- Rotatable Bond Count: 4
- Complexity: 363
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 17.8
- XLogP3: 5.7
Experimental Properties
- Density: 1.27±0.1 g/cm3 (20 oC 760 Torr),
- Melting Point: 186-188 oC (hexane )
- Solubility: Insuluble (7.4E-4 g/L) (25 oC),
- PSA: 17.82000
- LogP: 5.48580
4-Bromo-1-trityl-1H-pyrazole Security Information
- Signal Word:Warning
- Hazard Statement: H302-H315-H319-H335
- Warning Statement: P261-P305+P351+P338
- Storage Condition:Sealed in dry,Room Temperature
4-Bromo-1-trityl-1H-pyrazole Customs Data
- HS CODE:2933199090
- Customs Data:
China Customs Code:
2933199090Overview:
2933199090. Other structurally non fused pyrazole ring compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%
Declaration elements:
Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date
Summary:
2933199090. other compounds containing an unfused pyrazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
4-Bromo-1-trityl-1H-pyrazole Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-JD088-200mg |
4-Bromo-1-trityl-1H-pyrazole |
95162-14-4 | 98% | 200mg |
55.0CNY | 2021-07-14 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-JD088-1g |
4-Bromo-1-trityl-1H-pyrazole |
95162-14-4 | 98% | 1g |
191.0CNY | 2021-07-14 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-JD088-5g |
4-Bromo-1-trityl-1H-pyrazole |
95162-14-4 | 98% | 5g |
840.0CNY | 2021-07-14 | |
| Chemenu | CM120447-5g |
4-Bromo-1-tritylpyrazole |
95162-14-4 | 95+% | 5g |
$108 | 2021-08-06 | |
| Chemenu | CM120447-10g |
4-Bromo-1-tritylpyrazole |
95162-14-4 | 95+% | 10g |
$219 | 2021-08-06 | |
| Chemenu | CM120447-25g |
4-Bromo-1-tritylpyrazole |
95162-14-4 | 95+% | 25g |
$468 | 2021-08-06 | |
| Chemenu | CM120447-5g |
4-Bromo-1-tritylpyrazole |
95162-14-4 | 95%+ | 5g |
$*** | 2023-03-29 | |
| Chemenu | CM120447-25g |
4-Bromo-1-tritylpyrazole |
95162-14-4 | 95%+ | 25g |
$*** | 2023-03-29 | |
| Apollo Scientific | OR111071-1g |
4-Bromo-1-trityl-1H-pyrazole |
95162-14-4 | 95 | 1g |
£33.00 | 2025-02-19 | |
| Apollo Scientific | OR111071-5g |
4-Bromo-1-trityl-1H-pyrazole |
95162-14-4 | 95 | 5g |
£135.00 | 2025-02-19 |
4-Bromo-1-trityl-1H-pyrazole Production Method
Production Method 1
Reaction Conditions
1.1 Reagents: Sodium hydride Solvents: Tetrahydrofuran , Water ; 0 °C; overnight, rt
1.2 Reagents: Water ; rt
1.2 Reagents: Water ; rt
Reference
Production Method 2
Reaction Conditions
1.1 Reagents: Triethylamine Solvents: Ethanol ; 1 h, rt
1.2 Reagents: Water ; rt
1.2 Reagents: Water ; rt
Reference
- Synthesis of 4-aryl-1H-pyrazoles by Suzuki-Miyaura cross coupling reaction between 4-bromo-1H-1-tritylpyrazole and arylboronic acidsIchikawa, Hayato; Nishioka, Miho; Arimoto, Masao; Usami, Yoshihide, Heterocycles, 2010, 81(6), 1509-1516
Production Method 3
Reaction Conditions
1.1 Reagents: tert-Butyl peroxybenzoate Catalysts: (OC-6-22)-Tris[5-fluoro-2-(2-pyridinyl-κN)phenyl-κC]iridium Solvents: 1,2-Dichloroethane ; 24 h, rt
Reference
- Azolation of Benzylic C-H Bonds via Photoredox-Catalyzed Carbocation GenerationDas, Mrinmoy; Zamani, Leila; Bratcher, Christopher; Musacchio, Patricia Z., Journal of the American Chemical Society, 2023, 145(7), 3861-3868
Production Method 4
Reaction Conditions
1.1 Reagents: Triethylamine Solvents: Diethyl ether ; 3 h, rt
Reference
- Scalable 9-Step Synthesis of the Splicing Modulator NVS-SM2Abou-Hamdan, Hussein; Desaubry, Laurent, Journal of Organic Chemistry, 2018, 83(5), 2954-2958
Production Method 5
Reaction Conditions
1.1 Reagents: Sodium hydride Solvents: Tetrahydrofuran ; 0 °C; 90 min, 0 °C
1.2 36 h, 0 °C
1.3 Reagents: Water
1.2 36 h, 0 °C
1.3 Reagents: Water
Reference
- Solvent-free synthesis of metal-organic frameworks using low-melting metal saltsAzbell, Tyler J.; Pitt, Tristan A.; Bollmeyer, Melissa M.; Cong, Christina; Lancaster, Kyle M.; et al, ChemRxiv, 2022, 1, 1-11
Production Method 6
Reaction Conditions
1.1 Reagents: Sodium hydride Solvents: Tetrahydrofuran ; 1 h, 0 °C
1.2 0 °C; 0 °C → rt; 16 h, rt
1.3 Reagents: Ethanol ; 0 °C
1.2 0 °C; 0 °C → rt; 16 h, rt
1.3 Reagents: Ethanol ; 0 °C
Reference
- Synthesis of functionalized 5-(4-arylpiperazin-1-yl)-N-arylpentanamides and their evaluation as D3 receptor ligandsBlass, Benjamin E. ; Chen, Peng-Jen; Gordon, John C., Medicinal Chemistry Research, 2022, 31(5), 735-748
Production Method 7
Reaction Conditions
1.1 Reagents: Pyridine Catalysts: 4-(Dimethylamino)pyridine Solvents: Dichloromethane ; overnight, rt
Reference
- Pyrazole compounds as modulators of MAGL, ABHD6 and FAAH and methods of making and using same, World Intellectual Property Organization, , ,
Production Method 8
Reaction Conditions
1.1 Reagents: Potassium carbonate Solvents: Dimethylformamide ; 40 h, rt
Reference
- Preparation of pyrrole derivatives as androgen receptor antagonists for treatment of cancer, World Intellectual Property Organization, , ,
Production Method 9
Reaction Conditions
1.1 Reagents: Pyridine Catalysts: 4-(Dimethylamino)pyridine Solvents: Pyridine ; 24 h, 80 °C
Reference
- Preparation of substituted phthalazinamines as Aurora kinase modulators, World Intellectual Property Organization, , ,
Production Method 10
Reaction Conditions
1.1 Reagents: Triethylamine Solvents: Dimethylformamide ; 0 °C; 2 d, rt
Reference
- Preparation of N-(mercaptoacyl)phenylalanine derivatives as inhibitors of angiotensin converting enzyme (ACE) and/or neutral endopeptidase (NEP), World Intellectual Property Organization, , ,
Production Method 11
Reaction Conditions
1.1 Reagents: Sodium hydride Solvents: Tetrahydrofuran ; 15 min, 0 °C; 1 h, 0 °C
1.2 15 min, 0 °C; 0 °C → rt; 24 h, rt
1.2 15 min, 0 °C; 0 °C → rt; 24 h, rt
Reference
- Evaluating the Robustness of Metal-Organic Frameworks for Synthetic ChemistryWang, Zihao; Bilegsaikhan, Arvin; Jerozal, Ronald T.; Pitt, Tristan A.; Milner, Phillip J., ACS Applied Materials & Interfaces, 2021, 13(15), 17517-17531
Production Method 12
Reaction Conditions
1.1 Reagents: Pyridine Catalysts: 4-(Dimethylamino)pyridine Solvents: Dichloromethane ; 16 h, rt
Reference
- Preparation of pyrrolopyridines as Tec kinase inhibitors, World Intellectual Property Organization, , ,
Production Method 13
Reaction Conditions
1.1 Reagents: Potassium tert-butoxide Solvents: Dimethylformamide ; 0 °C; 0 °C → rt; 1 h, rt
Reference
- Inverse Electron Demand Diels-Alder Reactions of 1,2,3-Triazines: Pronounced Substituent Effects on Reactivity and Cycloaddition ScopeAnderson, Erin D.; Boger, Dale L., Journal of the American Chemical Society, 2011, 133(31), 12285-12292
Production Method 14
Reaction Conditions
1.1 Reagents: Triethylamine Solvents: Dimethylformamide ; rt; 0 °C; 3 h, 70 °C
Reference
- Preparation of pyridine derivatives substituted with heterocycle and phosphonoamino and antifungal agents containing the same, World Intellectual Property Organization, , ,
Production Method 15
Reaction Conditions
1.1 Reagents: Potassium tert-butoxide Solvents: Dimethylformamide ; 0 °C; overnight, rt
Reference
- Preparation of aryloxypyridinamines and related compounds as inhibitors of Notch signaling pathway and use thereof in treatment of cancers, World Intellectual Property Organization, , ,
Production Method 16
Reaction Conditions
1.1 Reagents: Potassium tert-butoxide Solvents: Dimethylformamide ; 0 °C; 2 h, 0 °C → rt
Reference
- Rhodium/Chiral Diene Complexes in the Catalytic Asymmetric Arylation of β-Pyrazol-1-yl AcrylatesGopula, Balraj; Tsai, Yun-Fan; Kuo, Ting-Shen; Wu, Ping-Yu; Henschke, Julian P.; et al, Organic Letters, 2015, 17(5), 1142-1145
Production Method 17
Reaction Conditions
1.1 Reagents: Cesium carbonate Solvents: Dimethyl sulfoxide ; rt; 2 h, 90 °C
Reference
- Preparation of hetero-bifunctional pomalidomide derivatives as GSPT1 degraders for treatment of cancers, World Intellectual Property Organization, , ,
Production Method 18
Reaction Conditions
1.1 Reagents: Potassium tert-butoxide Solvents: Dimethylformamide ; 0 °C; 0 °C → rt; 1 h, rt
1.2 Solvents: Water ; rt
1.3 Reagents: Ammonium chloride Solvents: Water ; neutralized, rt
1.2 Solvents: Water ; rt
1.3 Reagents: Ammonium chloride Solvents: Water ; neutralized, rt
Reference
- Identification and Profiling of Hydantoins-A Novel Class of Potent Antimycobacterial DprE1 InhibitorsRogacki, Maciej K.; Pitta, Eleni; Balabon, Olga; Huss, Sophie; Lopez-Roman, Eva Maria; et al, Journal of Medicinal Chemistry, 2018, 61(24), 11221-11249
Production Method 19
Reaction Conditions
1.1 Reagents: Potassium tert-butoxide Solvents: Dimethylformamide ; 0 °C; 12 h, 28 °C
Reference
- Pyrazolyl derivatives as SYK inhibitors and their preparation, World Intellectual Property Organization, , ,
Production Method 20
Reaction Conditions
1.1 Reagents: Sodium hydride Solvents: Tetrahydrofuran ; 1 h, rt; 30 min, 0 °C; 30 min, rt
1.2 20 min, 0 °C; 3 h, rt
1.3 Reagents: Water ; 0 °C
1.2 20 min, 0 °C; 3 h, rt
1.3 Reagents: Water ; 0 °C
Reference
- Antifungal triazole derivatives, processes for preparing them, and pharmaceutical compositions containing them, World Intellectual Property Organization, , ,
4-Bromo-1-trityl-1H-pyrazole Raw materials
- (chlorodiphenylmethyl)benzene
- Benzene,1,1',1''-(iodomethylidyne)tris-
- Triphenylmethane
- 4-Bromopyrazole
4-Bromo-1-trityl-1H-pyrazole Preparation Products
4-Bromo-1-trityl-1H-pyrazole Related Literature
-
Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
-
Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
-
Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
-
Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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